Hannah Kim, Celia Cintas, et al.
IJCAI 2023
The density functional theory and molecular dynamics (DFT-MD) method and of a CMPD parallel code is presented based on a plane wave scheme. Its power is shown through the survey of specific applications to diverse frontier areas of chemistry and materials science that make use of parallel computing.
Hannah Kim, Celia Cintas, et al.
IJCAI 2023
Ismail Akhalwaya, Shashanka Ubaru, et al.
ICLR 2024
David W. Jacobs, Daphna Weinshall, et al.
IEEE Transactions on Pattern Analysis and Machine Intelligence
Saurabh Paul, Christos Boutsidis, et al.
JMLR